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Information card for entry 7206138
Preview
| Coordinates | 7206138.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H14 F8 I6 N2 |
|---|---|
| Calculated formula | C24 H14 F8 I6 N2 |
| SMILES | c1cc(c2cc[n+](cc2)Cc2c(c(F)cc(F)c2F)F)cc[n+]1Cc1c(c(F)cc(c1F)F)F.I[I-]I.I[I-]I |
| Title of publication | Dimensional caging of polyiodides: cation-templated synthesis using bipyridinium salts |
| Authors of publication | García, Marcos D.; Martí-Rujas, Javier; Metrangolo, Pierangelo; Peinador, Carlos; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo; Ursini, Maurizio |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 13 |
| Pages of publication | 4411 |
| a | 7.6088 ± 0.0005 Å |
| b | 7.697 ± 0.0005 Å |
| c | 14.1513 ± 0.0009 Å |
| α | 99.02 ± 0.003° |
| β | 93.382 ± 0.003° |
| γ | 105.947 ± 0.003° |
| Cell volume | 782.46 ± 0.09 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0869 |
| Residual factor for significantly intense reflections | 0.0312 |
| Weighted residual factors for significantly intense reflections | 0.0679 |
| Weighted residual factors for all reflections included in the refinement | 0.0814 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.866 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7206138.cif |
| 180392 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/61. |
7206138.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7206138.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7206138.cif |
| 23526 | 2011-08-09 | ../uploads/cif-deposit/cod/cif Adding structures of 7206137, 7206138, 7206139, 7206140, 7206141, 7206142, 7206143, 7206144 via cif-deposit CGI script. |
7206138.cif |
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